3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)but-2-en-1-one CAS 847445-81-2
| CAS No. | 847445-81-2 |
| Molecular Formula | C16H13F6N5O |
| Molecular Weight | 405.30 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)but-2-en-1-one is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)but-2-en-1-one (CAS 847445-81-2) is a high-purity analytical reference standard with the molecular formula C16H13F6N5O and a molecular weight of 405.30 g/mol.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, 3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)but-2-en-1-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 405.30 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C16H13F6N5O |
| Molecular Weight | 405.30 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 5 |
Related Amino Standards
- N-[2-Amino-6-(3,5-dichlorophenyl)pyrido[2,3-d]pyrimidin-7-yl]-N’-(1,1-dimethylethyl)urea (CAS 1135256-66-4)
- 2-Amino-6-{4-[3-(trifluoromethyl)phenoxy]phenyl}pyridine-3,4,5-tricarbonitrile (CAS 478248-02-1)
- ((((((2S)-1-(6-Amino-4H-purin-9(8H)-yl)propan-2-yl)oxy)methyl)(hydroxy)phosphoryl)oxy)methyl isopropyl carbonate (CAS 1841115-98-7)
- 6-Amino-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CAS 667404-58-2)
- 1-Amino-5-hydroxy-4-((2-methoxyphenyl)amino)-8-nitroanthracene-9,10-dione (CAS 71412-38-9)
- 3-(Boc-amino)-4-(4-iodophenyl)butyric Acid (CAS 1824505-64-7)
- 8-Amino-N-(1-(cyclopropanecarbonyl)azetidin-3-yl)-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide (CAS 1449277-10-4)
- 6-Amino-2-(benzylthio)-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purine 1-oxide (CAS 64570-11-2)
Recommended Standards
- 2-(Benzyloxy)-4-formyl-6-nitrophenyl trifluoromethanesulfonate (CAS 312731-70-7)
- Ethyl 4-((2,4-dichlorophenyl)thio)-2-phenylpyrimidine-5-carboxylate (CAS 477854-69-6)
- {2-[(4-chlorophenyl)sulfanyl]pyridin-3-yl}methyl N-(4-chlorophenyl)carbamate (CAS 339278-47-6)
- N-[(Z)-2-(Benzenesulfonyl)-2-(6-chloropyridin-3-yl)ethenyl]-4-chloroaniline (CAS 478048-58-7)
- 3-hydroxy-4-methylpyridine-2-carboxylic acid hydrochloride (CAS 2060030-04-6)
- 3'-Fluoro-2-(trifluoromethyl)biphenyl-4-amine (CAS 1214370-28-1)
- 1-(4-Bromophenyl)-5-methyl-1H-pyrazole-4-carbohydrazide (CAS 618092-50-5)
- 1-{[6-Nitro-2-(thiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]methyl}piperidine-4-carboxylic acid (CAS 904817-89-6)
- 3-(1-Methyl-2-phenyl-1h-indol-3-yl)-3-oxopropanenitrile (CAS 568553-08-2)
- 3-Phenyl-2-((4-phenylpiperidin-1-yl)methyl)-1H-indole (CAS 827016-70-6)
- 4-(3,5-Dimethyl-1,2-oxazole-4-carbonyl)-2,6-dimethylmorpholine (CAS 478031-63-9)
- 2,5-Dimethyl-1-(phenylsulfonyl)-1h-pyrrolo[2,3-b]pyridine (CAS 1227270-58-7)
- 2-(2-Oxo-2-(pyridin-4-yl)ethylidene)thiazolidin-4-one (CAS 1000932-15-9)
- Tirzepatide Impurity 43 (CAS CATO-C4X-324043)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com